{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.1446516 0.7602583 1.64121 ] [ 0.5863284 2.091282 0.4918312 ] [ 1.988461 0.5220119 2.855455 ] [ 2.293973 2.837851 0.0455476 ] [ 2.215952 2.17866 2.777134 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.446516e-11 7.602583e-11 1.64121e-10 ] [ 5.863284e-11 2.091282e-10 4.918312e-11 ] [ 1.988461e-10 5.220119e-11 2.855455e-10 ] [ 2.293973e-10 2.837851e-10 4.55476e-12 ] [ 2.215952e-10 2.17866e-10 2.777134e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.6066804 -4.2076372 2.9657387 ] [ 13.9489813 5.3097812 25.0339923 ] [ -0.005077 -6.1013126 1.5783302 ] [ 5.172072 -1.4340494 7.7264917 ] [ -19.7226567 6.433218 -37.3045529 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.720091531775924e-10 -6.741377950648373e-09 4.751637208541785e-09 ] [ 2.234873172283639e-08 8.507207300203369e-09 4.010887718834723e-08 ] [ -8.1342507038016e-12 -9.775380403912462e-09 2.528763746342588e-09 ] [ 8.286572839494297e-09 -2.297600421752267e-09 1.237920436254525e-08 ] [ -3.159917946480448e-08 1.030715147610973e-08 -5.976848250577683e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -8.7458016 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.401231885367524e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.0645852 0.6250314 1.9493475 ] [ 0.3722238 2.2973558 0.2854438 ] [ 2.1039464 0.0611751 3.0857514 ] [ 2.651369 3.037571 0.1246107 ] [ 2.0372416 2.3689299 2.3660245 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.45852e-12 6.250314000000001e-11 1.9493475e-10 ] [ 3.722238e-11 2.2973558e-10 2.854438e-11 ] [ 2.1039464e-10 6.11751e-12 3.0857514e-10 ] [ 2.651369e-10 3.037571e-10 1.246107e-11 ] [ 2.0372416e-10 2.3689299e-10 2.3660245e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.15e-05 -4.51e-05 -1.3e-06 ] [ -2.02e-05 3.08e-05 -1.7e-06 ] [ -1e-07 -4.7e-06 1.62e-05 ] [ 2.19e-05 -1.8e-06 -1.45e-05 ] [ 9.9e-06 2.08e-05 1.4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.84250311392e-14 -7.225816559807999e-14 -2.08282960704e-15 ] [ -3.236396774016e-14 4.934703992064001e-14 -2.72370025536e-15 ] [ -1.6021766208e-16 -7.53023011776e-15 2.595526125696e-14 ] [ 3.508766799552e-14 -2.88391791744e-15 -2.32315610016e-14 ] [ 1.586154854592e-14 3.332527371264e-14 2.24304726912e-15 ] ] } "relaxed-potential-energy" { "source-value" -15.983578 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.560851498833322e-18 } }